Defluoro Dolutegravir (>85%)

CAS: 1863916-88-4

Ref. TR-D228715

Product Information

• Name: Defluoro Dolutegravir (>85%)
• Synonyms: 2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(4-fluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-, GSK 2968453A

Description

Applications Defluoro Dolutegravir is an impurity of Dolutegravir (D528800), a second generation HIV-1 integrase strand transfer inhibitor. Dolutegravir is currently in Phase III clinical trials for the treatment of HIV infection. Dolutegravir has been shown to potently inhibit HIV replication in cells such as peripheral blood mononuclear cells (PBMCs), MT-4 cells and CIP4 cells infected with a self-inactivating PHIV lentiviral vector.
References Kobayashi, M. et al. Antimicrob Agents Chemother., 55, 813 (2011); Garrido, C. et al.: Antiviral, Res., 90, 164 (2011); Lenz, J.C.C. et al.: Exp. Opin. Invest. Drugs, 20, 537 (2011);

• Brand: TRC

Chemical properties

• Molecular weight: 401.39
• Formula: C₂₀H₂₀FN₃O₅
• Purity: >85%
• Color/Form: Off-White To Light Brown
• InChI: InChI=1S/C20H20FN3O5/c1-11-6-7-29-15-10-23-9-14(17(25)18(26)16(23)20(28)24(11)15)19(27)22-8-12-2-4-13(21)5-3-12/h2-5,9,11,15,26H,6-8,10H2,1H3,(H,22,27)/t11-,15+/m1/s1
• InChI key: InChIKey=WINWILCOHJPYNO-ABAIWWIYSA-N
• SMILES: C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C(=O)N21